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Hi all,
I have read the multiple issue with the PandasTools related to the pandas version. However the threads were closed and the issue [fixed as solved](https://github.com/rdkit/rdkit/issues/2673…
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Morning - another doc request.
Given the starting point from the FAQ:
```javascript
plugin.loadMolecule({
id: '1tqn',
url: 'https://www.ebi.ac.uk/pdbe/static/entry/1tqn_updated.cif',
…
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Dear developers, I just compiled these codes on my computer and ran the examples in `/benzene_overlap`, and I got the output file `overlap.npz`. I want to get the image below (Nanoscale, 2021, 13, 162…
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Based on the conclusions in #6 and related to #15, we would like to investigate rendering the isosurfaces without JSMol.
@samreid said
> Perhaps when @jonathanolson has some free time, he could he…
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I have used some hand-made "logo" at presentation already (page 56 [1]),
but it would be nice to redraw it to vector graphics to enable better manipulation.
I don't oppose to any more crazy ideas. :-…
lfryc updated
11 years ago
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Figure out how the Annotations page should look to support other use-cases & upcoming features
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Speaking personally, the best outcome of this would be to find that someone has already solved the problems we're thinking about, or at least at least has a solution that can be extended to cover this…
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https://fragalysis.diamond.ac.uk/viewer/react/projects/1263/923
Initially just diagnose, and work out how much work.
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Currently clicking on the target icon of a compound centers on the very first observation of given compound. It's needed to center on center of mass of all visible observations (ligands of observation…
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Now that I'm checking for defined stereochemistry when we import from OEMol/RDMols, I'm running into a lot of molecules that have "undefined" stereochemistry when loaded from our 3D molecule test set …